SCHEMBL4256901

SCHEMBL4256901

COc1cc(O)c(C(C)=O)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.66
MAPK1 P28482 3/20 0.66
USP2 O75604 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
POLB P06746 4/20 0.57
KDM4E B2RXH2 2/20 0.57
MAPT P10636 2/20 0.57
RECQL P46063 2/20 0.57
ABL1 P00519 1/20 0.57
RIN1 Q13671 1/20 0.57
CTDSP1 Q9GZU7 1/20 0.57
HPGD P15428 4/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.49
ABCG2 Q9UNQ0 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
GAA P10253 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14993457 0.88 CYP3A4 (0.53) CYP3A4MAPK1USP2SMN1; SMN2POLB
SCHEMBL2811810 0.86 CYP3A4 (0.78) CYP3A4MAPK1USP2SMN1; SMN2POLB
SCHEMBL5624918 0.80 CYP3A4 (0.71) CYP3A4MAPK1USP2SMN1; SMN2POLB
SCHEMBL14992580 0.80 SMN1; SMN2 (0.46) CYP3A4MAPK1USP2SMN1; SMN2POLB
SCHEMBL4263528 0.79 CYP3A4 (0.71) CYP3A4MAPK1USP2SMN1; SMN2POLB
Xanthoxylin SCHEMBL44708 0.79 CYP3A4 (1.00) CYP3A4MAPK1USP2SMN1; SMN2POLB
Xanthoxylin SCHEMBL29349586 0.79 CYP3A4 (1.00) CYP3A4MAPK1USP2SMN1; SMN2POLB
SCHEMBL30916607 0.79 CYP3A4 (0.71) CYP3A4MAPK1USP2SMN1; SMN2POLB
SCHEMBL15904569 0.78 TYK2 (0.45) CYP3A4MAPK1USP2SMN1; SMN2POLB
SCHEMBL8648084 0.78 HPGD (0.59) CYP3A4MAPK1USP2SMN1; SMN2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors CORBETT JEFFREY WAYNE 2009-10-29 US disclosed
EP-2097420-A1 SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Products Inc. (US) 2009-09-09 EP disclosed
WO-2008065508-A1 SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER PRODUCTS INC. (US) 2008-06-05 WO disclosed
EP-0248420-B1 BENZOPYRAN DERIVATIVES DAIICHI SEIYAKU CO., LTD. (JP) 1991-09-18 EP disclosed
EP-0415566-A1 Heterocyclic compounds, processes for producing them and pharmaceutical compositions comprising them SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1991-03-06 EP disclosed
US-4841076-A DIURETICS, HYPOTENSIVE AGENTS DAIICHI SEIYAKU CO., LTD. (JP) 1989-06-20 US disclosed
EP-0248420-A2 Benzopyran derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1987-12-09 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB CYP3A4 1414/4885MAPK1 1428/4885USP2 3839/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.